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CHEBI:171828 - Allyl nonanoate

ChEBI IDCHEBI:171828
ChEBI NameAllyl nonanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O2
Net Charge0
Average Mass198.306
Monoisotopic Mass198.16198
SMILESC=CCOC(=O)CCCCCCCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
InChIKeyMFLWLDDOGSNSKO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Allyl nonanoate (CHEBI:171828) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
prop-2-enyl nonanoate
Manual XrefsDatabases
55339ChemSpider
HMDB0029763HMDB
LMFA07010778LIPID MAPS
Registry NumbersSources
CAS:7493-72-3ChemIDplus